A3962/0168849
TL;DR: A3962/0168849 (CAS 497248-13-2) is a chemical compound with molecular formula C31H27Cl2N3O2 and molecular weight 543.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3962/0168849, N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N~2~-(3,4-DICHLOROPHENYL)-4-(4-METHOXYPHENYL)-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C31H27Cl2N3O2 |
|---|---|
| Molecular Weight | 543.15 g/mol |
| LogP | 8.28722 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.148 |
| Heavy Atoms | 38 |
| Complexity | 1664.8461 |
Chemical Identifiers
| CAS Number | 497248-13-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC(=C(C=C6)Cl)Cl |
Product Overview
A3962/0168849 (CAS 497248-13-2), with molecular formula C31H27Cl2N3O2 and molecular weight 543.15 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3962/0168849
Property Insights of A3962/0168849
The XLogP value of 8.28722 indicates that A3962/0168849 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, A3962/0168849 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168849 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3962/0168849?
The CAS number of A3962/0168849 is 497248-13-2.
What is the molecular formula of A3962/0168849?
The molecular formula of A3962/0168849 is C31H27Cl2N3O2.
What is the molecular weight of A3962/0168849?
The molecular weight of A3962/0168849 is 543.15 g/mol.
Where can I buy A3962/0168849?
You can request a quote for A3962/0168849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168849?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.